Chemical Properties of Cyclohexane, bromo- (CAS 108-85-0)

Cyclohexane, bromo-

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InChI
InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChI Key
AQNQQHJNRPDOQV-UHFFFAOYSA-N
Formula
C6H11Br
SMILES
BrC1CCCCC1
Molecular Weight1
163.06
CAS
108-85-0
Other Names
  • 1-Bromocyclohexane
  • Bromocyclohexane
  • Cyclohexyl bromide
Sources

Physical Properties

Property Value Unit Source
Δf 38.41 kJ/mol Joback Calculated Property
Δfgas -86.52 kJ/mol Joback Calculated Property
Δfus 8.42 kJ/mol Joback Calculated Property
Δvap 35.81 kJ/mol Joback Calculated Property
IE [9.85; 10.00] eV Show Hide
IE 9.87 ± 0.02 eV NIST
IE 9.85 ± 0.01 eV NIST
IE 9.90 ± 0.02 eV NIST
IE 9.88 eV NIST
IE 10.00 eV NIST
logPoct/wat 2.71 Crippen Calculated Property
Pc 4328.25 kPa Joback Calculated Property
Tboil [345.00; 439.50] K Show Hide
Tboil 439.50 ± 0.50 K NIST
Tboil 439.40 K NIST
Tboil 438.00 K NIST
Tboil 437.00 ± 1.00 K NIST
Tboil 436.00 ± 4.00 K NIST
Tboil Outlier 345.00 K NIST
Tc 648.68 K Joback Calculated Property
Tfus 206.00 ± 6.00 K NIST
Ttriple 216.87 ± 0.05 K NIST
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 176.75 J/mol×K 422.39 Joback Calculated Property
Cp,liquid 182.10 J/mol×K 298.15 NIST
η 0.00 Pa×s 422.39 Joback Calculated Property
ΔfusH 10.79 kJ/mol 216.9 NIST
ΔfusH 10.79 kJ/mol 216.9 NIST
ΔvapH 42.80 kJ/mol 393.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 1
-Br 1
-CH2- (ring) 5

Similar Compounds

Cyclohexane, 1,4-dibromo-. Hexane, 3-bromo-. Heptane, 3-bromo-. 3-Bromooctane. Hexane, 2-bromo-. Cyclohexane, 1,3-dibromo-. Heptane, 2-bromo-. Cycloheptane, bromo-. Cyclooctyl bromide. 4-Bromoheptane. Cyclohexane,1,2-dibromo-,trans-. Cyclohexane, 1,2-dibromo-. Cyclohexane,1,2-dibromo-,cis-. Tridecane, 2-bromo-. 2-Bromononane.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.